SCHEMBL29420783

SCHEMBL29420783

CNc1cnc(Nc2ccc(C(F)(F)F)cc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ DHODH Q02127 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ RET P07949 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22931783 1.00 EPHX2 (0.41) EPHX2FLT3DHODHMAPK14RET
SCHEMBL29420794 0.89 EPHX2 (0.44) EPHX2FLT3RET
SCHEMBL24754845 0.89 EPHX2 (0.44) EPHX2FLT3RET
SCHEMBL29420788 0.87 EPHX2 (0.43) EPHX2FLT3
SCHEMBL22931804 0.87 EPHX2 (0.43) EPHX2FLT3MAPK14RET
SCHEMBL24754812 0.87 EPHX2 (0.43) EPHX2FLT3
SCHEMBL29420791 0.87 EPHX2 (0.43) EPHX2FLT3MAPK14RET
SCHEMBL24755078 0.82 EPHX2 (0.42) EPHX2DHODH
SCHEMBL29420789 0.82 EPHX2 (0.42) EPHX2DHODH
SCHEMBL22931769 0.80 EPHX2 (0.52) EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN claimed
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN disclosed
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